Natural Product: NPC193770

Natural Product ID:  NPC193770
Common Name:   Abietadien-18-Al
IUPAC Name:   (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
Synonyms:   Abietadien-18-al
Molecular Formula:   C20H30O
Standard InCHIKey:  HOFSYSONRIGEAC-LWYYNNOASA-N
Standard InCHI:  InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
Canonical SMILES:  O=C[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO11677 Lactobacillus acidophilus Species Lactobacillaceae Bacteria UNPD*
NPO22530 Vigna luteola Species Fabaceae Eukaryota UNPD*
NPO1338 Arcangelisia gusanlung Species Menispermaceae Eukaryota UNPD*
NPO18173 Pyrocystis lunula Species Pyrocystaceae Eukaryota UNPD*
NPO7807 Polyporus sulphureus Species Polyporaceae Eukaryota UNPD*
NPO5764 Ophioglossum vulgatum Species Ophioglossaceae Eukaryota UNPD*
NPO23157 Wigandia kunthii Species Namaceae Eukaryota UNPD*
NPO14307 Rhizopus oryzae Species Rhizopodaceae Eukaryota UNPD*
NPO19189 Brickellia pendula Species Asteraceae Eukaryota UNPD*
NPO18242 Gleichenia glauca Species Gleicheniaceae Eukaryota UNPD*
NPO21938 Coleus carnosus Species Lamiaceae Eukaryota UNPD*
NPO22147 Goniothalamus macrophyllus Species Annonaceae Eukaryota UNPD*
NPO21894 Psychotria granadensis Species Rubiaceae Eukaryota UNPD*
NPO18983 Cleidion brevipetiolatum Species Euphorbiaceae Eukaryota UNPD*
NPO19057 Lentinellus omphalodes Species Auriscalpiaceae Eukaryota UNPD*
NPO18061 Anacystis cyanea NA NA NA UNPD*
NPO21179 Streptomyces griseoaurantiacus Species Streptomycetaceae Bacteria UNPD*
NPO13963 Laurencia elata Species Rhodomelaceae Eukaryota UNPD*
NPO17596 Ficus maxima Species Moraceae Eukaryota UNPD*
NPO25454 Plumbago europaea Species Plumbaginaceae Eukaryota UNPD*
NPO12282 Parmelia conspersa Species Parmeliaceae Eukaryota UNPD*
NPO3050 Cladonia pseudodidyma Species Cladoniaceae Eukaryota UNPD*
NPO13308 Polycitor adriaticus Species Polycitoridae Eukaryota UNPD*
NPO10712 Tabebuia rosea Species Bignoniaceae Eukaryota UNPD*
NPO6953.1 Aconitum sachalinense subsp. yezoense Subspecies Ranunculaceae Eukaryota UNPD*
NPO18792 Crotalaria lechnaultii Species Fabaceae Eukaryota UNPD*
NPO11603 Lathyrus macrorrhizus Species Fabaceae Eukaryota UNPD*
NPO15608 Tanacetum santolina Species Asteraceae Eukaryota UNPD*
NPO12801 Aglaia meridionalis Species Meliaceae Eukaryota UNPD*
NPO21704 Papaver suaveolens Species Papaveraceae Eukaryota UNPD*
NPO17802 Simmondsia chinensis Species Simmondsiaceae Eukaryota UNPD*
NPO18881 Loropetalum chinense Species Hamamelidaceae Eukaryota UNPD*
NPO18707 Allium ursinum Species Amaryllidaceae Eukaryota UNPD*
NPO13594 Hippocratea indica Species Celastraceae Eukaryota UNPD*
NPO16653 Matteuccia struthiopteris Species Onocleaceae Eukaryota UNPD*
NPO16829 Dunaliella acidophila Species Dunaliellaceae Eukaryota UNPD*
NPO7174 Callyspongia truncata Species Callyspongiidae Eukaryota UNPD*
NPO16966 Leptospermum scoparium Species Myrtaceae Eukaryota UNPD*
NPO7090 Ammi majus Species Apiaceae Eukaryota UNPD*
NPO21302 Cladosporium herbarum Species Cladosporiaceae Eukaryota UNPD*
NPO9535 Cortinarius basirubescens Species Cortinariaceae Eukaryota UNPD*
NPO17709 Timonius kaniensis Species Rubiaceae Eukaryota UNPD*
NPO19127 Citrus tankan Species Rutaceae Eukaryota UNPD*
NPO3746 Hesperocyparis nevadensis Species Cupressaceae Eukaryota UNPD*
NPO18377 Chaetomium retardatum Species Chaetomiaceae Eukaryota UNPD*
NPO22968 Elaeocarpus serratus Species Elaeocarpaceae Eukaryota UNPD*
NPO12072 Escallonia philippiana Species Escalloniaceae Eukaryota UNPD*
NPO17831 Millettia racemosa Species Fabaceae Eukaryota UNPD*
NPO18575 Ochtodes crockeri Species Rhizophyllidaceae Eukaryota UNPD*
NPO17839 Machaerium mucronulatum Species Dolichopodidae Eukaryota UNPD*
NPO17385 Magnolia acuminata Species Magnoliaceae Eukaryota UNPD*
NPO17068 Talaromyces wortmanni Species Trichocomaceae Eukaryota UNPD*
NPO17275 Chamaemelum scariosum Species Asteraceae Eukaryota UNPD*
NPO17718 Artemisia schmidtiana Species Asteraceae Eukaryota UNPD*
NPO9604 Amycolatopsis lurida Species Pseudonocardiaceae Bacteria UNPD*
NPO20425 Epimedium macranthum Species Berberidaceae Eukaryota UNPD*
NPO23194 Berberis beaniana Species Berberidaceae Eukaryota UNPD*
NPO18847 Copaifera paupera Species Fabaceae Eukaryota UNPD*
NPO18306 Juniperus thurifera Species Cupressaceae Eukaryota UNPD*
NPO15469 Myodocarpus gracilis Species Myodocarpaceae Eukaryota UNPD*
NPO15358 Entandrophragma cylindricum Species Meliaceae Eukaryota UNPD*
NPO18520 Helipterum strictum Species Asteraceae Eukaryota UNPD*
NPO17190 Senecio erraticus Species Asteraceae Eukaryota UNPD*
NPO16293 Babylonia japonica Species Buccinidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 50 ug/ml 19217699
NPT165 Cell Line HeLa Homo sapiens CC50 = 5.6 ug/ml 19217699
NPT189 Cell Line Vero Chlorocebus aethiops CC50 = 31.5 ug/ml 19217699
NPT165 Cell Line HeLa Homo sapiens CC100 > 50 ug/ml 19217699
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 10 19217699
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 Activity = 12.5 ug/ml 19217699

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC193770 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9062 High Similarity NPC268039
0.8657 High Similarity NPC310992
0.8571 High Similarity NPC128346
0.8571 High Similarity NPC219232
0.8507 High Similarity NPC4370
0.8507 High Similarity NPC290350
0.8493 Intermediate Similarity NPC170793
0.8382 Intermediate Similarity NPC155198
0.8333 Intermediate Similarity NPC469662
0.831 Intermediate Similarity NPC211641
0.8182 Intermediate Similarity NPC197238
0.8182 Intermediate Similarity NPC202118
0.8116 Intermediate Similarity NPC188292
0.8116 Intermediate Similarity NPC260474
0.8108 Intermediate Similarity NPC4827
0.8082 Intermediate Similarity NPC899
0.8082 Intermediate Similarity NPC469793
0.8082 Intermediate Similarity NPC469796
0.8028 Intermediate Similarity NPC474562
0.8028 Intermediate Similarity NPC470078
0.8 Intermediate Similarity NPC90965
0.7879 Intermediate Similarity NPC127582
0.7867 Intermediate Similarity NPC115515
0.7857 Intermediate Similarity NPC87141
0.7857 Intermediate Similarity NPC20610
0.7857 Intermediate Similarity NPC296697
0.7857 Intermediate Similarity NPC39157
0.7857 Intermediate Similarity NPC82477
0.7857 Intermediate Similarity NPC142754
0.7848 Intermediate Similarity NPC33881
0.7838 Intermediate Similarity NPC309399
0.7838 Intermediate Similarity NPC19907
0.7826 Intermediate Similarity NPC323005
0.7808 Intermediate Similarity NPC306928
0.7794 Intermediate Similarity NPC52449
0.7794 Intermediate Similarity NPC475124
0.7794 Intermediate Similarity NPC169275
0.7794 Intermediate Similarity NPC285371
0.7792 Intermediate Similarity NPC4166
0.7761 Intermediate Similarity NPC60565
0.7746 Intermediate Similarity NPC286814
0.7746 Intermediate Similarity NPC139397
0.7746 Intermediate Similarity NPC182815
0.7742 Intermediate Similarity NPC22182
0.7727 Intermediate Similarity NPC276764
0.7727 Intermediate Similarity NPC472304
0.7714 Intermediate Similarity NPC20181
0.7714 Intermediate Similarity NPC220210
0.7703 Intermediate Similarity NPC473171
0.7692 Intermediate Similarity NPC311092
0.7681 Intermediate Similarity NPC251118
0.7671 Intermediate Similarity NPC470045
0.7671 Intermediate Similarity NPC470044
0.7662 Intermediate Similarity NPC474509
0.7639 Intermediate Similarity NPC307176
0.7639 Intermediate Similarity NPC260040
0.7639 Intermediate Similarity NPC282593
0.7639 Intermediate Similarity NPC251929
0.7639 Intermediate Similarity NPC2634
0.7639 Intermediate Similarity NPC265782
0.7639 Intermediate Similarity NPC159577
0.7639 Intermediate Similarity NPC35734
0.7632 Intermediate Similarity NPC189485
0.7576 Intermediate Similarity NPC27610
0.7576 Intermediate Similarity NPC56905
0.7568 Intermediate Similarity NPC301065
0.7564 Intermediate Similarity NPC121984
0.7534 Intermediate Similarity NPC54123
0.7534 Intermediate Similarity NPC190035
0.7534 Intermediate Similarity NPC304983
0.7534 Intermediate Similarity NPC115023
0.7534 Intermediate Similarity NPC181204
0.7532 Intermediate Similarity NPC27817
0.7532 Intermediate Similarity NPC474113
0.75 Intermediate Similarity NPC250539
0.75 Intermediate Similarity NPC256846
0.7432 Intermediate Similarity NPC474228
0.7432 Intermediate Similarity NPC474488
0.7432 Intermediate Similarity NPC303613
0.7432 Intermediate Similarity NPC251705
0.7424 Intermediate Similarity NPC281986
0.7424 Intermediate Similarity NPC321568
0.7424 Intermediate Similarity NPC208749
0.7424 Intermediate Similarity NPC22019
0.7407 Intermediate Similarity NPC2709
0.7407 Intermediate Similarity NPC470048
0.7403 Intermediate Similarity NPC82635
0.7397 Intermediate Similarity NPC214770
0.7397 Intermediate Similarity NPC477856
0.7391 Intermediate Similarity NPC288253
0.7385 Intermediate Similarity NPC200258
0.7385 Intermediate Similarity NPC188789
0.7375 Intermediate Similarity NPC307258
0.7368 Intermediate Similarity NPC1254
0.7361 Intermediate Similarity NPC216460
0.7342 Intermediate Similarity NPC116797
0.7342 Intermediate Similarity NPC474955
0.7333 Intermediate Similarity NPC329866
0.7333 Intermediate Similarity NPC251970
0.7333 Intermediate Similarity NPC166797
0.7333 Intermediate Similarity NPC241854
0.7333 Intermediate Similarity NPC476046
0.7333 Intermediate Similarity NPC474796
0.7333 Intermediate Similarity NPC474797
0.7317 Intermediate Similarity NPC168248
0.7317 Intermediate Similarity NPC94755
0.7308 Intermediate Similarity NPC472490
0.7297 Intermediate Similarity NPC234707
0.7297 Intermediate Similarity NPC160817
0.7297 Intermediate Similarity NPC225467
0.7286 Intermediate Similarity NPC4638
0.7286 Intermediate Similarity NPC6697
0.7273 Intermediate Similarity NPC472300
0.7273 Intermediate Similarity NPC325946
0.725 Intermediate Similarity NPC470813
0.725 Intermediate Similarity NPC142683
0.725 Intermediate Similarity NPC268122
0.7246 Intermediate Similarity NPC213152
0.7237 Intermediate Similarity NPC65650
0.7237 Intermediate Similarity NPC293803
0.7237 Intermediate Similarity NPC192540
0.7237 Intermediate Similarity NPC279666
0.7231 Intermediate Similarity NPC209431
0.7231 Intermediate Similarity NPC100809
0.7229 Intermediate Similarity NPC136548
0.7215 Intermediate Similarity NPC2482
0.7215 Intermediate Similarity NPC472478
0.7215 Intermediate Similarity NPC287063
0.7209 Intermediate Similarity NPC250575
0.72 Intermediate Similarity NPC180015
0.72 Intermediate Similarity NPC130016
0.72 Intermediate Similarity NPC109576
0.72 Intermediate Similarity NPC56747
0.7179 Intermediate Similarity NPC228911
0.7179 Intermediate Similarity NPC59436
0.7179 Intermediate Similarity NPC469996
0.7179 Intermediate Similarity NPC470052
0.7164 Intermediate Similarity NPC115385
0.7162 Intermediate Similarity NPC40574
0.716 Intermediate Similarity NPC41539
0.716 Intermediate Similarity NPC69279
0.716 Intermediate Similarity NPC83569
0.716 Intermediate Similarity NPC118423
0.7143 Intermediate Similarity NPC69408
0.7143 Intermediate Similarity NPC24816
0.7143 Intermediate Similarity NPC69143
0.7143 Intermediate Similarity NPC110725
0.7125 Intermediate Similarity NPC474085
0.7125 Intermediate Similarity NPC470034
0.7125 Intermediate Similarity NPC99308
0.7125 Intermediate Similarity NPC142244
0.7125 Intermediate Similarity NPC3915
0.7125 Intermediate Similarity NPC475863
0.7125 Intermediate Similarity NPC225515
0.7125 Intermediate Similarity NPC6663
0.7108 Intermediate Similarity NPC473168
0.7108 Intermediate Similarity NPC235341
0.7108 Intermediate Similarity NPC477579
0.7108 Intermediate Similarity NPC89077
0.7108 Intermediate Similarity NPC95594
0.7105 Intermediate Similarity NPC183503
0.7105 Intermediate Similarity NPC161923
0.7105 Intermediate Similarity NPC255021
0.7105 Intermediate Similarity NPC309852
0.7105 Intermediate Similarity NPC159497
0.7105 Intermediate Similarity NPC283908
0.7105 Intermediate Similarity NPC3753
0.7105 Intermediate Similarity NPC237591
0.7105 Intermediate Similarity NPC103958
0.7089 Intermediate Similarity NPC327674
0.7089 Intermediate Similarity NPC152061
0.7089 Intermediate Similarity NPC476177
0.7073 Intermediate Similarity NPC87552
0.7073 Intermediate Similarity NPC473246
0.7067 Intermediate Similarity NPC305501
0.7067 Intermediate Similarity NPC5701
0.7067 Intermediate Similarity NPC223187
0.7059 Intermediate Similarity NPC84271
0.7059 Intermediate Similarity NPC469769
0.7059 Intermediate Similarity NPC77168
0.7059 Intermediate Similarity NPC308108
0.7059 Intermediate Similarity NPC170799
0.7059 Intermediate Similarity NPC102414
0.7051 Intermediate Similarity NPC471899
0.7051 Intermediate Similarity NPC471897
0.7051 Intermediate Similarity NPC107039
0.7042 Intermediate Similarity NPC212210
0.7037 Intermediate Similarity NPC73882
0.7037 Intermediate Similarity NPC151519
0.7037 Intermediate Similarity NPC15910
0.7037 Intermediate Similarity NPC310989
0.7037 Intermediate Similarity NPC163236
0.7037 Intermediate Similarity NPC328351
0.7037 Intermediate Similarity NPC103486
0.7031 Intermediate Similarity NPC236623
0.7013 Intermediate Similarity NPC476844
0.7013 Intermediate Similarity NPC476346
0.7 Intermediate Similarity NPC474956
0.7 Intermediate Similarity NPC267517
0.7 Intermediate Similarity NPC108955

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC193770 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8056 Intermediate Similarity NPD4687 Approved
0.8056 Intermediate Similarity NPD5733 Approved
0.8028 Intermediate Similarity NPD5276 Approved
0.7857 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD4058 Approved
0.7746 Intermediate Similarity NPD4137 Phase 3
0.7639 Intermediate Similarity NPD4747 Approved
0.7639 Intermediate Similarity NPD4691 Approved
0.716 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5279 Phase 3
0.7059 Intermediate Similarity NPD287 Approved
0.7037 Intermediate Similarity NPD3667 Approved
0.6905 Remote Similarity NPD5280 Approved
0.6905 Remote Similarity NPD4694 Approved
0.6867 Remote Similarity NPD3133 Approved
0.6867 Remote Similarity NPD3666 Approved
0.6867 Remote Similarity NPD4786 Approved
0.6867 Remote Similarity NPD3668 Phase 3
0.6867 Remote Similarity NPD3665 Phase 1
0.6707 Remote Similarity NPD8028 Phase 2
0.6706 Remote Similarity NPD7334 Approved
0.6706 Remote Similarity NPD5330 Approved
0.6706 Remote Similarity NPD7521 Approved
0.6706 Remote Similarity NPD3618 Phase 1
0.6706 Remote Similarity NPD6409 Approved
0.6706 Remote Similarity NPD6684 Approved
0.6706 Remote Similarity NPD7146 Approved
0.6627 Remote Similarity NPD4221 Approved
0.6627 Remote Similarity NPD4223 Phase 3
0.6591 Remote Similarity NPD5207 Approved
0.6591 Remote Similarity NPD5692 Phase 3
0.6585 Remote Similarity NPD4695 Discontinued
0.6582 Remote Similarity NPD8039 Approved
0.6552 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6903 Approved
0.6552 Remote Similarity NPD5737 Approved
0.6552 Remote Similarity NPD6672 Approved
0.6522 Remote Similarity NPD4219 Approved
0.6517 Remote Similarity NPD5281 Approved
0.6517 Remote Similarity NPD5694 Approved
0.6517 Remote Similarity NPD6050 Approved
0.6517 Remote Similarity NPD5284 Approved
0.6512 Remote Similarity NPD5690 Phase 2
0.6477 Remote Similarity NPD4753 Phase 2
0.6477 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6477 Remote Similarity NPD5328 Approved
0.6471 Remote Similarity NPD4197 Approved
0.6462 Remote Similarity NPD8262 Approved
0.6429 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4697 Phase 3
0.6404 Remote Similarity NPD4096 Approved
0.6395 Remote Similarity NPD5329 Approved
0.6386 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6351 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6341 Remote Similarity NPD3617 Approved
0.6333 Remote Similarity NPD6411 Approved
0.6333 Remote Similarity NPD7515 Phase 2
0.6333 Remote Similarity NPD6079 Approved
0.6322 Remote Similarity NPD4689 Approved
0.6322 Remote Similarity NPD4519 Discontinued
0.6322 Remote Similarity NPD6098 Approved
0.6322 Remote Similarity NPD4623 Approved
0.6322 Remote Similarity NPD4688 Approved
0.6322 Remote Similarity NPD4690 Approved
0.6322 Remote Similarity NPD5205 Approved
0.6322 Remote Similarity NPD4693 Phase 3
0.6322 Remote Similarity NPD4138 Approved
0.631 Remote Similarity NPD4139 Approved
0.631 Remote Similarity NPD4692 Approved
0.6304 Remote Similarity NPD5695 Phase 3
0.6264 Remote Similarity NPD4202 Approved
0.6264 Remote Similarity NPD6399 Phase 3
0.6264 Remote Similarity NPD5133 Approved
0.625 Remote Similarity NPD3573 Approved
0.6196 Remote Similarity NPD7900 Approved
0.6196 Remote Similarity NPD7748 Approved
0.6196 Remote Similarity NPD7901 Clinical (unspecified phase)
0.618 Remote Similarity NPD5208 Approved
0.618 Remote Similarity NPD4518 Approved
0.6173 Remote Similarity NPD8264 Approved
0.6173 Remote Similarity NPD6942 Approved
0.6173 Remote Similarity NPD7339 Approved
0.6154 Remote Similarity NPD6923 Approved
0.6154 Remote Similarity NPD6922 Approved
0.6136 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5210 Approved
0.6129 Remote Similarity NPD4629 Approved
0.6129 Remote Similarity NPD5654 Approved
0.6111 Remote Similarity NPD6673 Approved
0.6111 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6080 Approved
0.6111 Remote Similarity NPD6101 Approved
0.6111 Remote Similarity NPD6904 Approved
0.6098 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6081 Remote Similarity NPD4191 Approved
0.6081 Remote Similarity NPD4193 Approved
0.6081 Remote Similarity NPD4194 Approved
0.6081 Remote Similarity NPD4192 Approved
0.6076 Remote Similarity NPD7143 Approved
0.6076 Remote Similarity NPD7144 Approved
0.6064 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6064 Remote Similarity NPD5222 Approved
0.6064 Remote Similarity NPD5221 Approved
0.6042 Remote Similarity NPD6404 Discontinued
0.6032 Remote Similarity NPD1799 Clinical (unspecified phase)
0.6 Remote Similarity NPD7150 Approved
0.6 Remote Similarity NPD3495 Discontinued
0.6 Remote Similarity NPD7151 Approved
0.6 Remote Similarity NPD4243 Approved
0.6 Remote Similarity NPD6083 Phase 2
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD7902 Approved
0.6 Remote Similarity NPD7152 Approved
0.6 Remote Similarity NPD4755 Approved
0.6 Remote Similarity NPD5959 Approved
0.6 Remote Similarity NPD6084 Phase 2
0.5978 Remote Similarity NPD5693 Phase 1
0.5977 Remote Similarity NPD4788 Approved
0.5957 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5938 Remote Similarity NPD5696 Approved
0.5895 Remote Similarity NPD7732 Phase 3
0.5882 Remote Similarity NPD4195 Approved
0.5882 Remote Similarity NPD7645 Phase 2
0.5876 Remote Similarity NPD4700 Approved
0.5876 Remote Similarity NPD4696 Approved
0.5876 Remote Similarity NPD5286 Approved
0.5876 Remote Similarity NPD5285 Approved
0.5854 Remote Similarity NPD6926 Approved
0.5854 Remote Similarity NPD4785 Approved
0.5854 Remote Similarity NPD4784 Approved
0.5854 Remote Similarity NPD6924 Approved
0.5851 Remote Similarity NPD6001 Approved
0.5843 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5843 Remote Similarity NPD1694 Approved
0.5816 Remote Similarity NPD5223 Approved
0.5783 Remote Similarity NPD4190 Phase 3
0.5783 Remote Similarity NPD5275 Approved
0.5769 Remote Similarity NPD7331 Phase 2
0.5758 Remote Similarity NPD5226 Approved
0.5758 Remote Similarity NPD5211 Phase 2
0.5758 Remote Similarity NPD4633 Approved
0.5758 Remote Similarity NPD5224 Approved
0.5758 Remote Similarity NPD5225 Approved
0.5745 Remote Similarity NPD7631 Approved
0.5745 Remote Similarity NPD5779 Approved
0.5745 Remote Similarity NPD5778 Approved
0.5729 Remote Similarity NPD7614 Phase 1
0.5714 Remote Similarity NPD6933 Approved
0.57 Remote Similarity NPD4754 Approved
0.57 Remote Similarity NPD5175 Approved
0.57 Remote Similarity NPD5174 Approved
0.5679 Remote Similarity NPD6938 Clinical (unspecified phase)
0.5679 Remote Similarity NPD6939 Phase 2
0.5667 Remote Similarity NPD1696 Phase 3
0.5647 Remote Similarity NPD6932 Approved
0.5647 Remote Similarity NPD6925 Approved
0.5647 Remote Similarity NPD5776 Phase 2
0.5644 Remote Similarity NPD5141 Approved
0.5638 Remote Similarity NPD7609 Phase 3
0.5632 Remote Similarity NPD7525 Registered

Structure

External Identifiers

PubChem CID   443479
ChEMBL   CHEMBL563793
ZINC  

Physicochemical Properties

Molecular Weight:  286.23
ALogP:  1.4247
MLogP:  3.55
XLogP:  6.527
# Rotatable Bonds:  6
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  21

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs